Andreas Goetz wrote:
> Dear all,
>
> After building Amber from a fresh CVS checkout I have following issue with sander:
>
> $> cd $AMBERHOME/src
> $> ./configure_at intel
> $> ./configure_amber ifort
> $> cd sqm; make depend; cd ..
> [...]
> Installation of Amber11 (serial) is complete at Thu Sep 3 18:08:22 PDT 2009.
> $> cd $AMBERHOME/test
> $> make
> (find . -name '*.dif' -o -name 'profile_mpi' | \
> while read dif ;\
> do \
> rm -f $dif ;\
> done ;\
> )
> rm -f TEST_FAILURES.diff
> cd dmp && ./Run.dmp
> forrtl: severe (257): formatted I/O to unit open for unformatted transfers, unit 16, file
> /server-home/agoetz/sources/AMBER/amber11/test/dmp/restrt
> Image PC Routine Line Source
> sander 0000000000D7DF51 Unknown Unknown Unknown
> sander 0000000000D7CF25 Unknown Unknown Unknown
> sander 0000000000D1EB9A Unknown Unknown Unknown
> sander 0000000000CBEA62 Unknown Unknown Unknown
> sander 0000000000CBE291 Unknown Unknown Unknown
> sander 0000000000D090A2 Unknown Unknown Unknown
> sander 000000000051CEC4 Unknown Unknown Unknown
> sander 000000000051CA3D Unknown Unknown Unknown
> sander 00000000004E69C7 Unknown Unknown Unknown
> sander 00000000004D3FAA Unknown Unknown Unknown
> sander 00000000004CF92C Unknown Unknown Unknown
> sander 000000000040EE4C Unknown Unknown Unknown
> libc.so.6 00002AF341C08586 Unknown Unknown Unknown
> sander 000000000040ED49 Unknown Unknown Unknown
> ./Run.dmp: Program error
> make: *** [test.sander.BASIC.nopar] Error 1
>
>
> Any ideas?
>
> Regards,
> Andy
>
Hi Andy,
I think that was my mistake, to do with output of restart files from
minimisations. I've fixed the files concerned and will put them back
into CVS very shortly. Sorry for the inconvenience.
Ben
--
Benjamin P. Roberts
Postdoctoral Research Associate
Quantum Theory Project
University of Florida
2301 New Physics Building #92
PO Box 118435
Gainesville FL 32611-8435
USA
Phone: +1 352 392 6712
Cell: +1 352 222 3677
Member of the Royal Australian Chemical Institute
and of the American Chemical Society
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Received on Mon Sep 14 2009 - 11:50:16 PDT
